1-(2,3-dimethylphenyl)-4-[2-(2,5-dimethylphenyl)sulfonylethyl]piperazin-4-ium

Systemtic Name: 1-(2,3-dimethylphenyl)-4-[2-(2,5-dimethylphenyl)sulfonylethyl]piperazin-4-ium Openeye Name: 1-(2,3-dimethylphenyl)-4-[2-(2,5-dimethylphenyl)sulfonylethyl]piperazin-4-ium CAS Name: 1-(2,3-dimethylphenyl)-4-[2-(2,5-dimethylphenyl)sulfonylethyl]piperazin-4-ium IUPAC Name: 1-(2,3-dimethylphenyl)-4-[2-(2,5-dimethylphenyl)sulfonylethyl]piperazin-4-ium Traditional Name: 1-(2,3-dimethylphenyl)-4-[2-(2,5-dimethylphenyl)sulfonylethyl]piperazin-4-ium Formula: C22H31N2O2S+ MolecularWeight: 387.55874

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)CC[NH+]2CCN(CC2)C3=CC=CC(=C3C)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)CC[NH+]2CCN(CC2)C3=CC=CC(=C3C)C

InChI

InChI=1S/C22H30N2O2S/c1-17-8-9-19(3)22(16-17)27(25,26)15-14-23-10-12-24(13-11-23)21-7-5-6-18(2)20(21)4/h5-9,16H,10-15H2,1-4H3/p+1